Chem
J-GLOBAL ID：200907050617437578   Nikkaji number：J2.314.840D

2-[(S)-α-(tert-Butoxycarbonylamino)-3-methylbenzyl]malonic acid dibenzyl ester

2-[(S)-α-(tert-ブトキシカルボニルアミノ)-3-メチルベンジル]マロン酸ジベンジル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C30H33NO6
Molecular formula furigana： C30-H33-N-O6
Molecular weight： 503.595
InChI： InChI=1S/C30H33NO6/c1-21-12-11-17-24(18-21)26(31-29(34)37-30(2,3)4)25(27(32)35-19-22-13-7-5-8-14-22)28(33)36-20-23-15-9-6-10-16-23/h5-18,25-26H,19-20H2,1-4H3,(H,31,34)/t26-/m1/s1
InChI key： DNJZQOVHUVGEEL-AREMUKBSSA-N
SMILES： Cc1cccc(c1)[C@@H](NC(=O)OC(C)(C)C)C(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
Systematic name  (3)：
  • 2-[(S)-α-(tert-ブトキシカルボニルアミノ)-3-メチルベンジル]マロン酸ジベンジル
  • 1,3-ジベンジル 2-[(S)-{[(tert-ブトキシ)カルボニル]アミノ}(3-メチルフェニル)メチル]プロパンジオアート
  • 1,3-dibenzyl 2-[(S)-{[(tert-butoxy)carbonyl]amino}(3-methylphenyl)methyl]propanedioate
Other name (1)：
  • 2-[(S)-α-(tert-Butoxycarbonylamino)-3-methylbenzyl]malonic acid dibenzyl ester
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